SCHEMBL23544827

SCHEMBL23544827

COCCS(=O)(=O)N1CCN(c2cccc(C(C)C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RECQL P46063 1/20 0.48
KCNH2 Q12809 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
SMO Q99835 2/20 0.42
NOTUM Q6P988 1/20 0.42
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25839464 0.85 KCNH2 (0.48) ALDH1A1NPSR1RECQLKCNH2TP53
SCHEMBL25844474 0.82 L3MBTL1 (0.47) ALDH1A1LMNA
SCHEMBL23446066 0.81 JAK3 (0.45) TP53LMNASMOTHRB
SCHEMBL23544826 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1RECQLKCNH2NOTUM
SCHEMBL19701981 0.79 ALDH1A1 (0.50) ALDH1A1NPSR1RECQLLMNANOTUM
SCHEMBL16019525 0.77 NOTUM (0.56) ALDH1A1NPSR1RECQLKCNH2LMNA
SCHEMBL24721098 0.76 NOTUM (0.52) ALDH1A1NPSR1RECQLLMNANOTUM
SCHEMBL25840577 0.75 MEN1 (0.55) KCNH2TP53SMOTHRBMAPT
SCHEMBL25839495 0.72 POLB (0.63) ALDH1A1NOTUMMAPT
SCHEMBL23544878 0.72 NOTUM (0.46) ALDH1A1NPSR1RECQLNOTUMMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 2446/4885NPSR1 3649/4885RECQL 1358/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 ALDH1A1 2446/4885NPSR1 3649/4885RECQL 1358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.